SCHEMBL9770634

SCHEMBL9770634

O=[N+]([O-])c1c(N2CCOCC2)c(O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.46
ELANE P08246 1/20 0.46
CTSB P07858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9770560 0.81 ALDH1A1 (0.54) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770534 0.79 LMNA (0.47) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770553 0.79 LMNA (0.51) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770654 0.78 KDM4E (0.56) LMNAALDH1A1KDM4EMAPTPKM
SCHEMBL9770550 0.75 LMNA (0.46) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL28579892 0.75 S100A4 (0.50) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770640 0.74 CTSB (0.54) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770626 0.73 KDM4E (0.51) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL8567685 0.71 S100A4 (0.46) LMNAALDH1A1MEN1MAPK1KMT2A
SCHEMBL9770600 0.71 LMNA (0.60) LMNAALDH1A1MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019574-A 3,4-diaminoquinoline and 3,4-diamino-5,6,7,8-tetrahydroquinoline compounds useful for improving psychoneural function CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-28 US disclosed
EP-0361489-A2 Novel 3,4-diaminoquinoline and pyridine compounds Chugai Seiyaku Kabushiki Kaisha (JP) 1990-04-04 EP disclosed